(2S)-2-(benzotriazol-1-yloxy)-N-(3-chlorophenyl)propanamide

C15H13ClN4O2 — CID 7668539

IUPAC(2S)-2-(benzotriazol-1-yloxy)-N-(3-chlorophenyl)propanamide
SMILESC[C@H](On1nnc2ccccc21)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C15H13ClN4O2/c1-10(15(21)17-12-6-4-5-11(16)9-12)22-20-14-8-3-2-7-13(14)18-19-20/h2-10H,1H3,(H,17,21)/t10-/m0/s1
InChIKeyWXBPGPAGIPRCPY-JTQLQIEISA-N
MW316.75 g/mol
LogP2.54
Rot. Bonds4

About (2S)-2-(benzotriazol-1-yloxy)-N-(3-chlorophenyl)propanamide

(2S)-2-(benzotriazol-1-yloxy)-N-(3-chlorophenyl)propanamide (PubChem CID 7668539) has the molecular formula C15H13ClN4O2 and a molecular weight of 316.75 g/mol. Its IUPAC name is (2S)-2-(benzotriazol-1-yloxy)-N-(3-chlorophenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(benzotriazol-1-yloxy)-N-(3-chlorophenyl)propanamide
PubChem CID7668539
Molecular FormulaC15H13ClN4O2
Molecular Weight316.75 g/mol
Exact Mass316.07
IUPAC Name(2S)-2-(benzotriazol-1-yloxy)-N-(3-chlorophenyl)propanamide
SMILESC[C@H](On1nnc2ccccc21)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C15H13ClN4O2/c1-10(15(21)17-12-6-4-5-11(16)9-12)22-20-14-8-3-2-7-13(14)18-19-20/h2-10H,1H3,(H,17,21)/t10-/m0/s1
InChIKeyWXBPGPAGIPRCPY-JTQLQIEISA-N
XLogP2.54
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.75
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-2-(benzotriazol-1-yloxy)-N-(3-chlorophenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(benzotriazol-1-yloxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 17403666
(2S)-2-(benzotriazol-1-yloxy)-N-(4-cyanophenyl)propanamide
CID 41096096
2-(6-chlorobenzotriazol-1-yl)oxy-N-(3,4-dimethoxyphenyl)propanamide
CID 17419510
(2R)-2-(6-chlorobenzotriazol-1-yl)oxy-N-(4-fluorophenyl)propanamide
CID 7697064
(2R)-N-(4-acetylphenyl)-2-(6-chlorobenzotriazol-1-yl)oxypropanamide
CID 41095144
(2R)-2-(6-chlorobenzotriazol-1-yl)oxy-N-(2-fluorophenyl)propanamide
CID 7687183
(2S)-N-(3-methylphenyl)-2-[6-(trifluoromethyl)benzotriazol-1-yl]oxypropanamide
CID 7697408
(2R)-2-(3-chlorophenoxy)-N-(3-chlorophenyl)propanamide
CID 966245
(2S)-2-(6-chlorobenzotriazol-1-yl)oxy-N-(4-piperidin-1-ylphenyl)propanamide
CID 7550497
[(2S)-1-(3-chloroanilino)-1-oxopropan-2-yl] 4-chlorobenzoate
CID 2629142
(2R,3S)-2,3-dichloro-N-(3-chlorophenyl)butanamide
CID 7385866
(2S,3S)-2,3-dichloro-N-(3-chlorophenyl)butanamide
CID 7385868

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(benzotriazol-1-yloxy)-N-(3-chlorophenyl)propanamide?
The IUPAC name of (2S)-2-(benzotriazol-1-yloxy)-N-(3-chlorophenyl)propanamide (CID 7668539) is (2S)-2-(benzotriazol-1-yloxy)-N-(3-chlorophenyl)propanamide.
What is the SMILES notation for (2S)-2-(benzotriazol-1-yloxy)-N-(3-chlorophenyl)propanamide?
The canonical SMILES for (2S)-2-(benzotriazol-1-yloxy)-N-(3-chlorophenyl)propanamide is C[C@H](On1nnc2ccccc21)C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of (2S)-2-(benzotriazol-1-yloxy)-N-(3-chlorophenyl)propanamide?
The InChIKey is WXBPGPAGIPRCPY-JTQLQIEISA-N. The full InChI is InChI=1S/C15H13ClN4O2/c1-10(15(21)17-12-6-4-5-11(16)9-12)22-20-14-8-3-2-7-13(14)18-19-20/h2-10H,1H3,(H,17,21)/t10-/m0/s1.
What are the key properties of (2S)-2-(benzotriazol-1-yloxy)-N-(3-chlorophenyl)propanamide?
(2S)-2-(benzotriazol-1-yloxy)-N-(3-chlorophenyl)propanamide has a molecular weight of 316.75 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(benzotriazol-1-yloxy)-N-(3-chlorophenyl)propanamide is sourced from PubChem (CID 7668539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).